Molecular Properties | |
SMILES: | Cc1ccc(CCC(c2cccc(C#N)c2)N2CC3CC2CN3C(=O)CCl)cc1 |
MW: | 407.18 |
Fraction sp3: | 0.42 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 47.34 |
cLogP: | 4.06 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
MAK-UNK-ec98eaf6-51
0.805
MAK-UNK-ec98eaf6-52
0.791
MAK-UNK-ec98eaf6-50
0.735
PAU-WEI-b9b69149-6
0.600
MAK-UNK-ec98eaf6-49
0.578
DAR-DIA-3e9bbd81-7
0.533
AHN-SAT-721e3e40-1
0.500
MAK-UNK-3e0761f8-4
0.489
DAR-DIA-3e9bbd81-13
0.471
MAK-UNK-ec98eaf6-55
0.464
PAU-WEI-b9b69149-5
0.455
PAU-WEI-b9b69149-4
0.454
MAK-UNK-ec98eaf6-9
0.447
MAK-UNK-90d0606b-3
0.441
PAU-WEI-b9b69149-3
0.423
MAK-UNK-ec98eaf6-1
0.418
MAK-UNK-10799360-36
0.418
MAK-UNK-df1a028e-4
0.413
DAR-DIA-3e9bbd81-6
0.406
MAK-UNK-ec98eaf6-15
0.405
MAK-UNK-5d2caa6f-3
0.402
MAK-UNK-df1a028e-9
0.398
MAK-UNK-ec98eaf6-6
0.388
DAR-DIA-3e9bbd81-3
0.388
MAK-UNK-ec98eaf6-56
0.374
MAK-UNK-3e0761f8-9
0.374
MAK-UNK-5d2caa6f-4
0.371
MAK-UNK-ec98eaf6-54
0.370
MAK-UNK-3f402c2b-3
0.366
MAK-UNK-5d2caa6f-5
0.364
MAK-UNK-3f402c2b-4
0.360
MAK-UNK-10799360-22
0.359
DAR-DIA-3e9bbd81-5
0.355
DAR-DIA-3e9bbd81-14
0.355
MAK-UNK-5d2caa6f-24
0.352
MAK-UNK-10799360-5
0.350
MAK-UNK-3f402c2b-5
0.344
MAK-UNK-ec98eaf6-21
0.343
DAR-DIA-3e9bbd81-2
0.330
DAN-LON-a5fc619e-8
0.326
DAR-DIA-3e9bbd81-8
0.324
MAK-UNK-3f402c2b-17
0.323
DAR-DIA-3e9bbd81-11
0.320
MAK-UNK-10dfa458-40
0.320
MAK-UNK-ec98eaf6-10
0.318
MAK-UNK-3f402c2b-13
0.317
MAK-UNK-ec98eaf6-8
0.317
MAK-UNK-3f402c2b-12
0.313
MAK-UNK-ec98eaf6-4
0.313
MAK-UNK-df1a028e-8
0.312
MAK-UNK-ec98eaf6-22
0.311
MAK-UNK-ec98eaf6-3
0.311
MAK-UNK-10dfa458-41
0.310
MAK-UNK-3f402c2b-27
0.309
MAK-UNK-10dfa458-42
0.308
MAK-UNK-90d0606b-4
0.306
SAD-SAT-c989feaa-2
0.306
PAU-WEI-b9b69149-2
0.306
MAK-UNK-3f402c2b-22
0.305
SAD-SAT-581007d4-10
0.304
MAK-UNK-ec98eaf6-13
0.303
MAK-UNK-ec98eaf6-25
0.303
MAK-UNK-3f402c2b-7
0.301
MAK-UNK-bae89c02-4
0.301
MAK-UNK-3f402c2b-2
0.300
MAK-UNK-ec98eaf6-16
0.299
MAK-UNK-10799360-3
0.299
MAK-UNK-df1a028e-6
0.299
PAU-WEI-b9b69149-1
0.298
MAK-UNK-3f402c2b-25
0.298
PAU-WEI-b9b69149-8
0.295
MAK-UNK-10799360-35
0.295
MAK-UNK-ec98eaf6-44
0.294
MAK-UNK-3f402c2b-14
0.294
MAK-UNK-ec98eaf6-40
0.294
SAD-SAT-581007d4-9
0.293
MIC-UNK-df342a3f-2
0.292
MAK-UNK-10799360-26
0.292
MAK-UNK-ec98eaf6-14
0.291
MAK-UNK-10799360-17
0.291
MAK-UNK-90d0606b-1
0.290
DAR-DIA-3e9bbd81-9
0.289
MAK-UNK-3f402c2b-29
0.289
MAK-UNK-3f402c2b-26
0.289
NIR-THE-c331be7a-2
0.288
MAK-UNK-df1a028e-5
0.287
MAK-UNK-3f402c2b-9
0.286
MIC-UNK-df342a3f-1
0.286
MAK-UNK-ec98eaf6-24
0.284
MAK-UNK-3e0761f8-5
0.283
MAK-UNK-3f402c2b-1
0.283
DAR-DIA-3e9bbd81-16
0.281
MAK-UNK-ec98eaf6-45
0.280
MAK-UNK-10799360-16
0.279
PEI-IMP-e4a008a2-1
0.278
MAK-UNK-3f402c2b-16
0.276
MAT-POS-ee51dedd-1
0.276
MAK-UNK-5d2caa6f-7
0.275
MAK-UNK-ec98eaf6-47
0.274
MAK-UNK-10799360-29
0.274